Detailed information for compound 1858298

Basic information

Technical information
  • TDR Targets ID: 1858298
  • Name: N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-nit rophenyl)methanimine
  • MW: 344.795 | Formula: C17H17ClN4O2
  • H donors: 0 H acceptors: 2 LogP: 4.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1CCN(CC1)/N=C/c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C17H17ClN4O2/c18-15-5-7-16(8-6-15)20-9-11-21(12-10-20)19-13-14-3-1-2-4-17(14)22(23)24/h1-8,13H,9-12H2/b19-13+
  • InChiKey: DVAKTGFHOXUGRT-CPNJWEJPSA-N  


Substructure search Similarity search

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Synonyms

  • N-[4-(4-chlorophenyl)-1-piperazinyl]-1-(2-nitrophenyl)methanimine
  • (E)-[4-(4-chlorophenyl)piperazin-1-yl]-(2-nitrobenzylidene)amine
  • [4-(4-chlorophenyl)piperazin-1-yl]-(2-nitrobenzylidene)amine
  • ZINC00135752
  • Oprea1_537536
  • T0505-5431
  • CBMicro_033437
  • STK098296
  • 4-(4-chlorophenyl)-N-(2-nitrobenzylidene)-1-piperazinamine
  • MLS000577791
  • SMR000187176
  • ZINC04663709
  • BIM-0033441.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cytochrome P450 family protein 0.0024 0.0029 0.0312
Loa Loa (eye worm) hypothetical protein 0.0043 0.0093 0.102
Onchocerca volvulus 0.0037 0.0071 0.007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0093 0.102
Schistosoma mansoni hypothetical protein 0.0025 0.003 0.0109
Brugia malayi hypothetical protein 0.0286 0.0907 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0016 0.0056
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0189 0.0686
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0155 0.0075
Loa Loa (eye worm) hypothetical protein 0.0286 0.0907 1
Brugia malayi beta-lactamase family protein 0.0043 0.0093 0.1017
Loa Loa (eye worm) inositol-1 0.0045 0.0096 0.1062
Echinococcus granulosus chromobox protein 1 0.0084 0.0229 0.0834
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0093 0.0012
Loa Loa (eye worm) beta-lactamase 0.0043 0.0093 0.102
Loa Loa (eye worm) hypothetical protein 0.0043 0.0093 0.102
Toxoplasma gondii ABC1 family protein 0.0043 0.0093 0.0037
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0096 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0068 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0105 0.0545
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0065 0.0235
Loa Loa (eye worm) hypothetical protein 0.006 0.0149 0.1646
Schistosoma mansoni inositol monophosphatase 0.0045 0.0096 0.035
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0 0.0003
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0068 0.0245
Schistosoma mansoni zinc finger protein 0.0024 0.0026 0.0094
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0264 0.0209
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0191 0.2104
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.043 0.1394 0.5069
Mycobacterium tuberculosis Conserved protein 0.0043 0.0093 0.0012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0137 0.0497
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0111 0.0404
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0114 0.0414
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0264 0.096
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0117 0.0687
Schistosoma mansoni inositol monophosphatase 0.0045 0.0096 0.035
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0117 0.0619
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0 0.0001
Trichomonas vaginalis esterase, putative 0.0043 0.0093 0.0399
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0018 0.0198
Echinococcus multilocularis chromobox protein 1 0.0084 0.0229 0.0834
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0105 0.0545
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2988 1 1
Brugia malayi jmjC domain containing protein 0.0115 0.0334 0.3682
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0093 0.0012
Loa Loa (eye worm) hypothetical protein 0.0047 0.0105 0.1157
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2988 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0229 0.2008
Brugia malayi chromobox protein homolog 3 0.0047 0.0105 0.1154
Loa Loa (eye worm) hypothetical protein 0.0043 0.0093 0.102
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0096 0.035
Schistosoma mansoni hypothetical protein 0.0018 0.0008 0.003
Leishmania major hypothetical protein, conserved 0.0043 0.0093 0.957
Schistosoma mansoni bromodomain containing protein 0.0076 0.0203 0.0739
Plasmodium falciparum phd finger protein, putative 0.0035 0.0065 0.0009
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0038 0.0137
Loa Loa (eye worm) hypothetical protein 0.0046 0.0102 0.1126
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0093 0.0012
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0909 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0065 0.0009
Brugia malayi jmjC domain containing protein 0.0045 0.0097 0.107
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0092 0.0335
Brugia malayi beta-lactamase 0.0043 0.0093 0.1017
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0097 0.0354
Brugia malayi PHD-finger family protein 0.0035 0.0065 0.071
Mycobacterium leprae Probable lipase LipE 0.0043 0.0093 0.0037
Onchocerca volvulus 0.0058 0.0142 0.0918
Schistosoma mansoni hypothetical protein 0.0058 0.0142 0.0517
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0097 0.0354
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0264 0.0209
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2751 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0155 0.0099
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0093 0.957
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0229 0.2528
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0093 0.0336
Brugia malayi Bromodomain containing protein 0.0038 0.0074 0.0816
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0096 0.0444
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0004 0.0037
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0096 0.0004
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0264 0.0209
Schistosoma mansoni survival motor neuron protein 0.0058 0.0142 0.0517
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0081 0.0025
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0065 0.0009
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0063 0.0229
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0096 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0068 0.0245
Plasmodium vivax SET domain protein, putative 0.0036 0.0068 0.0012
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0264 0.096
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0105 0.0477
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.2988 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0093 0.102
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0065 0.0713
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0016 0.0056
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0096 1
Echinococcus granulosus chromobox protein 1 0.0084 0.0229 0.0834
Loa Loa (eye worm) hypothetical protein 0.0094 0.0264 0.291
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0264 0.0209
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2988 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0155 0.0562
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0093 0.0399
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0907 0.3298
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0881 0.0807
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0096 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0093 0.0012
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0155 0.0562
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0093 0.0399
Loa Loa (eye worm) hypothetical protein 0.0035 0.0065 0.0713
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0016 0.0056
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0096 0.035
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0264 0.0173
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0137 0.0497
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0093 0.0399
Schistosoma mansoni zinc finger protein 0.0018 0.0008 0.003
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0334 0.1215
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0093 0.957
Echinococcus granulosus peregrin 0.0038 0.0074 0.027
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.2988 1 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0229 0.2525
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0038 0.0137
Brugia malayi Inositol-1 0.0045 0.0096 0.1059
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0093 0.0037
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0264 0.0169
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0254 0.0925
Onchocerca volvulus 0.005 0.0114 0.0583
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0093 0.0336
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2751 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0093 0.0336
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0016 0.0056
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0029 0.0315
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0093 0.0012
Onchocerca volvulus 0.0043 0.0093 0.033
Echinococcus multilocularis chromobox protein 1 0.0084 0.0229 0.0834
Loa Loa (eye worm) hypothetical protein 0.0037 0.0071 0.0779
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2988 1 1
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.2988 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0229 0.2008
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.2988 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0096 0.0041
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0334 0.1215
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0093 0.0012
Brugia malayi Probable ClpP-like protease 0.0094 0.0264 0.2908
Loa Loa (eye worm) hypothetical protein 0.0043 0.0093 0.102
Onchocerca volvulus 0.0043 0.0093 0.033
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0 0.0001
Mycobacterium tuberculosis Conserved protein 0.0043 0.0093 0.0012
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0155 0.0075
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0093 0.957
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0093 0.0037
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0096 0.0444
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0093 0.0012
Schistosoma mansoni chromobox protein 0.0084 0.0229 0.0834
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2751 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0907 0.3298
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0189 0.0686
Brugia malayi Bromodomain containing protein 0.0046 0.0102 0.112
Schistosoma mansoni chromobox protein 0.0084 0.0229 0.0834
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0 0.0001
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0097 0.0354
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0065 0.0235
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0264 0.0209
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0092 0.0335
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0065 0.0235
Loa Loa (eye worm) hypothetical protein 0.0049 0.0112 0.1232
Brugia malayi Bromodomain containing protein 0.0091 0.0251 0.2764
Mycobacterium tuberculosis Conserved protein 0.0043 0.0093 0.0012
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.003 0.0331
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0017 0.0004 0.0041
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0038 0.0137
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0137 0.0497
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0093 0.0399
Echinococcus multilocularis zinc finger protein 0.0024 0.0026 0.0094
Brugia malayi Pre-SET motif family protein 0.0036 0.0068 0.0741
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.009 0.0326
Brugia malayi Pre-SET motif family protein 0.0251 0.0792 0.873
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0097 0.1073
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0264 0.0209
Onchocerca volvulus 0.0043 0.0093 0.033
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0096 0.0444
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0111 0.0404
Giardia lamblia PHD finger protein 15 0.0035 0.0065 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0065 0.0235
Onchocerca volvulus 0.0286 0.0909 1
Echinococcus multilocularis peregrin 0.0038 0.0074 0.027
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0093 0.102
Brugia malayi PHD-finger family protein 0.003 0.0047 0.052
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0264 0.096
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0117 0.0687
Loa Loa (eye worm) hypothetical protein 0.0052 0.012 0.1317
Loa Loa (eye worm) hypothetical protein 0.0085 0.0234 0.2575
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0137 0.0497
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0093 0.0399
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0264 0.0173
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0093 0.1017
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0792 0.873
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0065 0.0009
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0142 0.1565
Brugia malayi beta-lactamase family protein 0.0043 0.0093 0.1017
Echinococcus granulosus zinc finger protein 0.0024 0.0026 0.0094
Loa Loa (eye worm) hypothetical protein 0.0057 0.0137 0.1508
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0096 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0093 0.0336

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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